V025-8196 Screening compound: N-(3-{[1-(4-fluorophenyl)-4-[(2-methoxy-5-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide

V025-8196 Screening compound: N-(3-{[1-(4-fluorophenyl)-4-[(2-methoxy-5-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
V025-8196 Screening compound: N-(3-{[1-(4-fluorophenyl)-4-[(2-methoxy-5-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-8196
N-(3-{[1-(4-fluorophenyl)-4-[(2-methoxy-5-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V025-8196

Molecular Formula

C32H24FN3O6S (C32 H24 FN3 O6 S)

Compound Name

N-(3-{[1-(4-fluorophenyl)-4-[(2-methoxy-5-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-(3-{[1-(4-fluorophenyl)-4-[(2-methoxy-5-methylphenyl)amino]-25-dioxo-25-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-13-benzodioxole-5-carboxamide

SMILES

Cc(cc1)cc(NC(C(N(C2=O)c(cc3)ccc3F)=O)=C2Sc2cc(NC(c(cc3)cc4c3OCO4)=O)ccc2)c1OC

InChI

InChI=1S/C32H24FN3O6S/c1-18-6-12-25(40-2)24(14-18)35-28-29(32(39)36(31(28)38)22-10-8-20(33)9-11-22)43-23-5-3-4-21(16-23)34-30(37)19-7-13-26-27(15-19)42-17-41-26/h3-16,35H,17H2,1-2H3,(H,34,37)

InChI Key

IPBMYXXNYNWPPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

597.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.251

Distribution Coefficient, logD

5.251

Water Solubility, LogSw

-5.08

Polar Surface Area

85.131

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

-3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.40

V025-8196 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with V025-8196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-8196?
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What is the minimum amount of V025-8196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-8196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-8196
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V025-8196 available by request